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CAS No.: | 529-53-3 |
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Name: | SCUTELLAREIN |
Article Data: | 69 |
Molecular Structure: | |
Formula: | C15H10O6 |
Molecular Weight: | 286.241 |
Synonyms: | Flavone,4',5,6,7-tetrahydroxy- (7CI,8CI);Scutellarein (6CI);4',5,6,7-Tetrahydroxyflavone;6-Hydroxyapigenin; |
EINECS: | 1806241-263-5 |
Density: | 1.654g/cm3 |
Melting Point: | 330°C |
Boiling Point: | 642.9°Cat760mmHg |
Flash Point: | 249.9°C |
Safety: | 24/25 |
PSA: | 111.13000 |
LogP: | 2.28240 |
5-hydroxy-4',6,7-trimethoxyflavone
scutellarein
Conditions | Yield |
---|---|
With hydrogen bromide; acetic acid In water | 97% |
scutellarein 7-O-β-D-glucuronopyranoside methyl ester
scutellarein
Conditions | Yield |
---|---|
With sulfuric acid In ethanol; water at 95℃; for 7h; Temperature; Time; Inert atmosphere; | 96% |
With hydrogenchloride In ethanol at 90℃; for 12h; Reagent/catalyst; Temperature; Inert atmosphere; | 92.1% |
Conditions | Yield |
---|---|
With hydrogen bromide; acetic acid at 125℃; for 22h; Temperature; Inert atmosphere; | 94% |
With hydrogen bromide; acetic acid at 120℃; for 24h; Inert atmosphere; | 90% |
With hydrogen iodide |
scutellarin
scutellarein
Conditions | Yield |
---|---|
With sulfuric acid; water at 20℃; for 0.166667h; Concentration; | 93% |
With sulfuric acid In ethanol; water at 120℃; for 48h; Inert atmosphere; | 85% |
With sulfuric acid In water at 90℃; for 20h; | 45% |
Conditions | Yield |
---|---|
With methanol; sulfuric acid for 23h; Reagent/catalyst; Solvent; Temperature; Reflux; | 92.3% |
Conditions | Yield |
---|---|
With pyridine hydrochloride at 190 - 200℃; Cooling with ice; Inert atmosphere; | 86% |
With pyridine hydrochloride at 180℃; for 6h; Inert atmosphere; | 2.6 g |
Conditions | Yield |
---|---|
With hydrogen bromide; acetic acid for 23h; Heating; | 82% |
7-hydroxy-5,8-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one
scutellarein
Conditions | Yield |
---|---|
With hydrogen iodide |
Conditions | Yield |
---|---|
With hydrogen iodide; acetic anhydride |
Conditions | Yield |
---|---|
With pyridine hydrochloride for 3h; |
The Scutellarein with cas registry number of 529-53-3, belongs to the following product categorie: Tetra-substituted Flavones. It has the systematic name of 5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one. And its IUPAC name is 5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one.
Physical properties about this chemical are: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.45; (4)ACD/LogD (pH 7.4): 1.13; (5)ACD/BCF (pH 5.5): 40.87; (6)ACD/BCF (pH 7.4): 1.95; (7)ACD/KOC (pH 5.5): 468.59; (8)ACD/KOC (pH 7.4): 22.32; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 63.22 Å2; (13)Index of Refraction: 1.767; (14)Molar Refractivity: 71.73 cm3; (15)Molar Volume: 172.9 cm3; (16)Polarizability: 28.43×10-24cm3; (17)Surface Tension: 92.5 dyne/cm; (18)Enthalpy of Vaporization: 98.33 kJ/mol; (19)Vapour Pressure: 3.97E-17 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C\1c3c(O)c(O)c(O)cc3O/C(=C/1)c2ccc(O)cc2;
(2)InChI: InChI=1/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H;
(3)InChIKey: JVXZRQGOGOXCEC-UHFFFAOYAD;
(4)Std. InChI: InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H;
(5)Std. InChIKey: JVXZRQGOGOXCEC-UHFFFAOYSA-N